1-octanol/water calculation: ALOGPs was developed with 12908 molecules from the
PHYSPROP database using 75 E-state indicies. 64 neural networks were
trained using 50% of molecules selected by chance from the whole set.
The logP prediction accuracy is root mean squared error rms=0.35 and standard
mean error s=0.26 [1,2].

Aqueous solubility calculation: ALOGpS was developed using 1291 molecules and provided
improved aqueous solubility prediction (rms=0.49, s=0.38) compared to our previous analysis [3]. The molecules used in this study can be downloaded.

ALOGPS 2.1 can increase its prediction
for the user's molecules up to 5 times [1] in the LIBRARY mode. You can create and use your
own LIBRARY. It can be also used to predict logD values [4,5].